Information card for entry 7019746

Structure parameters

• Formula: C61 H49 B2 F36 N O
• Calculated formula: C61 H49 B2 F36 N O
• Title of publication: Novel H(2) activation by a tris[3,5-bis(trifluoromethyl)phenyl]borane frustrated Lewis pair.
• Authors of publication: Herrington, Thomas J.; Thom, Alex J. W.; White, Andrew J. P.; Ashley, Andrew E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9019 - 9022
• a: 12.0325 ± 0.0005 Å
• b: 15.7928 ± 0.0008 Å
• c: 17.362 ± 0.0009 Å
• α: 90.233 ± 0.004°
• β: 92.367 ± 0.004°
• γ: 100.933 ± 0.004°
• Cell volume: 3236.4 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No